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DocumentationIdentifier: MM365662
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365662 |
| SMILES |
C=CC(=C)OCCOCC
|
| InChIKey |
DWLHARJFJVKSCO-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166907
Similarity: 0.9412
Similarity to MM166907
| Tanimoto metric | 0.9412 |
|---|---|
| Cosine metric | 0.9701 |
| Dice metric | 0.9697 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113337
Similarity: 0.8088
Similarity to MM113337
| Tanimoto metric | 0.8088 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8943 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213126
Similarity: 0.6912
Similarity to MM213126
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8314 |
| Dice metric | 0.8174 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+437 more
